Fig. 3.

MagMa screenshot displaying the annotation of node 313.066 in highly interlinked cluster (a); b the fragmentation pattern matched paracetamol mercapturate (conjugate of paracetamol and N-acetylcysteine), which is the top ranked hit in the results. c Fragment annotation by MagMa, the fragment C₈H₈NO₂S is also highlighted in the structure of paracetamol mercapturate (d), encompassing the paracetamol part of the conjugate including the sulphur atom from N-acetylcysteine